#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2100678.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100678_Fobs
loop_
_publ_author_name
'Podsiad\/lo, Marcin'
'Dziubek, Kamil'
'Szafra\'nski, Marek'
'Katrusiak, Andrzej'
_publ_section_title
;
 Molecular interactions in crystalline dibromomethane and
 diiodomethane, and the stabilities of their high-pressure and
 low-temperature phases
;
_journal_coeditor_code           BK5037
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1090
_journal_page_last               1098
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F 2 -2'
_symmetry_space_group_name_H-M   'F m m 2'
_[local]_cod_data_source_file    bk50371djm_nissup4.hkl
_[local]_cod_data_source_block   1djm_nis
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 -6 1250.60 852.80 118.02 o
2 2 -6 50.05 21.99 32.78 o
0 4 -6 1655.00 1515.44 114.16 o
2 4 -6 1291.71 807.63 396.64 o
0 6 -6 124.59 77.48 54.94 o
1 1 -5 2460.64 2048.44 100.21 o
3 1 -5 1471.63 1080.23 107.47 o
5 1 -5 540.21 374.92 66.63 o
1 3 -5 3356.07 4000.87 607.85 o
3 3 -5 2030.48 1491.98 178.98 o
5 3 -5 754.48 561.98 70.62 o
1 5 -5 810.13 882.64 83.38 o
3 5 -5 493.51 305.41 53.22 o
5 5 -5 185.14 141.45 52.13 o
1 7 -5 3035.03 3276.82 127.05 o
3 7 -5 1843.11 1465.76 404.98 o
1 9 -5 127.77 69.57 51.23 o
3 9 -5 76.93 78.30 52.21 o
0 0 -4 17505.21 16498.96 187.28 o
2 0 -4 13413.24 10579.40 173.33 o
4 0 -4 6067.27 4819.94 134.27 o
6 0 -4 1670.92 1453.55 112.50 o
0 2 -4 126.26 101.71 21.48 o
2 2 -4 94.55 105.31 29.81 o
4 2 -4 45.08 27.33 23.07 o
6 2 -4 14.97 17.95 29.26 o
0 4 -4 11664.54 13806.12 192.20 o
2 4 -4 8936.63 10810.55 1779.67 o
4 4 -4 4114.19 3253.88 262.81 o
6 4 -4 1184.20 975.67 67.46 o
0 6 -4 1867.06 1316.93 845.11 o
2 6 -4 1440.31 1552.85 59.80 o
4 6 -4 658.19 443.30 61.70 o
6 6 -4 181.91 160.02 39.27 o
0 8 -4 6617.07 7309.90 161.34 o
2 8 -4 5118.71 5692.20 285.78 o
4 8 -4 2382.51 1838.97 400.82 o
6 8 -4 684.03 526.32 70.13 o
0 10 -4 1710.54 1781.62 95.84 o
2 10 -4 1333.62 1453.29 75.93 o
4 10 -4 642.00 528.32 111.92 o
0 12 -4 1610.07 1633.33 109.02 o
1 1 -3 15387.82 14546.19 1278.51 o
3 1 -3 8582.24 5944.58 580.49 o
5 1 -3 2916.26 3822.08 1527.97 o
7 1 -3 629.76 673.08 94.34 o
9 1 -3 88.70 122.69 73.19 o
1 3 -3 21998.22 19160.03 3231.44 o
3 3 -3 12766.46 12821.40 2620.64 o
5 3 -3 4370.76 3618.23 312.70 o
7 3 -3 930.60 966.67 104.35 o
1 5 -3 5311.29 5082.60 615.72 o
3 5 -3 3135.68 3147.25 396.67 o
5 5 -3 1086.69 846.84 65.41 o
7 5 -3 233.00 187.80 39.43 o
1 7 -3 17376.21 21067.96 1452.95 o
3 7 -3 10112.55 10421.62 176.31 o
5 7 -3 3576.56 3634.50 218.20 o
7 7 -3 800.47 728.87 97.82 o
1 9 -3 558.65 557.61 42.18 o
3 9 -3 323.96 297.94 63.42 o
5 9 -3 116.78 77.83 48.05 o
7 9 -3 27.15 51.32 52.53 o
1 11 -3 8862.64 10089.20 685.88 o
3 11 -3 5343.13 5620.42 155.23 o
5 11 -3 1970.27 2014.38 113.99 o
1 13 -3 29.40 27.61 45.25 o
5 13 -3 5.73 112.90 72.82 o
0 0 -2 71379.20 56830.05 264.82 o
2 0 -2 52124.06 57426.16 17156.49 o
4 0 -2 21855.01 14204.80 177.44 o
6 0 -2 5664.13 4462.43 125.76 o
8 0 -2 945.51 905.25 65.41 o
0 2 -2 2214.56 2229.56 128.31 o
2 2 -2 1479.44 1520.21 203.97 o
4 2 -2 536.72 381.82 27.24 o
6 2 -2 126.16 156.41 35.93 o
8 2 -2 19.59 51.69 27.54 o
0 4 -2 61751.70 68490.38 342.15 o
2 4 -2 44997.20 31850.49 6651.62 o
4 4 -2 18721.32 16948.85 957.75 o
6 4 -2 4831.78 4659.09 89.94 o
8 4 -2 804.89 820.86 107.07 o
0 6 -2 5236.88 5649.11 344.69 o
2 6 -2 4016.53 4007.43 294.53 o
4 6 -2 1822.29 1570.38 83.06 o
6 6 -2 501.79 658.72 73.06 o
8 6 -2 88.52 69.05 40.33 o
0 8 -2 22301.11 24464.50 242.49 o
2 8 -2 17043.36 16913.38 666.48 o
4 8 -2 7709.65 7357.42 281.40 o
6 8 -2 2137.59 2181.30 94.28 o
8 8 -2 380.83 244.49 87.80 o
0 10 -2 8349.38 8036.68 153.48 o
2 10 -2 6357.97 6011.17 87.03 o
4 10 -2 2863.41 2690.12 178.70 o
6 10 -2 794.41 659.04 85.28 o
0 12 -2 7195.77 6774.62 159.43 o
4 12 -2 2554.78 2228.49 88.74 o
6 12 -2 731.26 968.78 99.28 o
2 14 -2 3260.88 2713.69 109.65 o
4 14 -2 1569.46 1330.77 105.14 o
1 1 -1 52384.25 47548.10 6011.60 o
3 1 -1 25910.37 17073.96 144.46 o
5 1 -1 7826.33 5590.37 501.56 o
7 1 -1 1530.40 1275.16 100.35 o
9 1 -1 200.90 212.16 56.61 o
1 3 -1 70711.08 68225.24 4464.78 o
3 3 -1 34822.49 33777.90 3638.38 o
5 3 -1 10829.91 12098.08 1841.53 o
7 3 -1 2200.69 1691.58 258.12 o
9 3 -1 293.54 357.39 65.30 o
1 5 -1 15487.48 16549.49 731.84 o
3 5 -1 7990.90 8357.43 714.54 o
5 5 -1 2579.28 2697.17 330.37 o
7 5 -1 538.27 460.15 88.41 o
9 5 -1 73.18 63.05 57.70 o
1 7 -1 47183.87 51973.89 3374.16 o
3 7 -1 26737.59 27096.49 225.12 o
5 7 -1 8965.21 8744.81 165.23 o
7 7 -1 1878.43 1836.81 97.96 o
1 9 -1 1532.18 1467.93 75.84 o
3 9 -1 900.19 900.44 46.52 o
5 9 -1 309.68 198.29 67.11 o
7 9 -1 65.79 55.70 49.07 o
1 11 -1 21557.36 23855.00 220.40 o
3 11 -1 12647.53 12242.34 552.45 o
5 11 -1 4508.44 5030.68 138.30 o
7 11 -1 1015.72 985.02 89.90 o
3 13 -1 25.06 35.03 28.45 o
5 13 -1 8.71 23.65 49.26 o
5 15 -1 1598.68 1504.57 121.91 o
2 0 0 122382.67 103016.76 25209.89 o
4 0 0 40822.13 43336.17 11586.45 o
6 0 0 9751.13 12872.62 4540.24 o
8 0 0 1553.22 1520.40 91.34 o
10 0 0 165.68 182.89 71.00 o
0 2 0 493.75 212.68 9.50 o
2 2 0 663.28 618.60 35.91 o
4 2 0 432.73 442.29 44.01 o
6 2 0 110.53 116.74 30.55 o
8 2 0 17.79 48.47 26.29 o
0 4 0 95366.74 95184.59 313.91 o
2 4 0 68815.70 61087.90 3072.04 o
4 4 0 28118.56 25862.96 2226.30 o
6 4 0 7053.53 9159.96 2635.17 o
8 4 0 1148.74 1531.43 420.30 o
0 6 0 14575.54 16243.86 129.48 o
2 6 0 9926.21 9693.46 332.13 o
4 6 0 3810.21 3872.34 194.20 o
6 6 0 969.78 1365.45 324.25 o
8 6 0 160.25 472.28 104.57 o
0 8 0 44033.24 50514.95 285.02 o
2 8 0 32331.10 33521.07 3052.68 o
4 8 0 13713.31 17288.68 2545.77 o
6 8 0 3632.81 3443.11 121.12 o
8 8 0 619.17 505.50 110.24 o
0 10 0 10665.76 11526.88 152.92 o
2 10 0 8265.07 9356.98 751.26 o
4 10 0 3804.01 3779.30 118.32 o
6 10 0 1059.03 1150.95 107.05 o
0 12 0 9402.94 10236.76 163.30 o
2 12 0 7297.71 7709.23 380.35 o
4 12 0 3410.86 3280.00 116.85 o
6 12 0 981.03 889.45 98.45 o
0 14 0 7594.85 7839.72 156.22 o
2 14 0 5853.65 5628.41 146.01 o
4 14 0 2725.35 2501.76 110.00 o
2 16 0 1448.42 1124.56 101.91 o
4 16 0 686.13 477.55 102.37 o
1 1 1 51654.66 52971.00 2976.27 o
3 1 1 25692.51 18189.36 3552.05 o
5 1 1 7778.92 8456.37 1683.15 o
7 1 1 1519.86 1983.86 464.36 o
1 3 1 71455.41 77566.41 4911.99 o
3 3 1 35062.20 32815.67 4470.03 o
5 3 1 10885.49 12141.74 2201.79 o
7 3 1 2213.00 3405.23 631.77 o
9 3 1 295.06 307.94 82.42 o
1 5 1 15768.65 17754.31 976.46 o
3 5 1 8093.19 9207.84 1372.33 o
5 5 1 2605.47 3031.84 650.73 o
7 5 1 544.04 698.79 184.74 o
9 5 1 73.89 55.79 46.98 o
1 7 1 46798.67 54483.18 1894.64 o
3 7 1 26576.50 26700.10 242.57 o
5 7 1 8919.55 8970.60 163.64 o
7 7 1 1868.53 1775.92 95.35 o
1 9 1 1478.74 1572.74 45.25 o
3 9 1 874.98 931.89 141.24 o
5 9 1 301.96 260.04 54.70 o
7 9 1 64.13 64.38 55.83 o
1 11 1 21723.02 23606.62 263.84 o
3 11 1 12733.36 15686.73 1421.33 o
5 11 1 4536.15 4718.81 141.86 o
7 11 1 1021.54 955.34 125.68 o
1 13 1 37.35 39.66 25.62 o
3 13 1 22.12 35.93 35.61 o
5 13 1 7.73 35.28 53.35 o
1 15 1 6906.66 6839.31 115.31 o
3 15 1 4209.32 3965.49 137.54 o
1 17 1 362.08 387.14 93.10 o
0 0 2 71510.77 75830.02 276.17 o
2 0 2 52118.63 54723.52 5748.02 o
4 0 2 21813.80 19450.31 156.55 o
6 0 2 5659.33 9415.55 180.66 o
0 2 2 2198.26 2221.83 212.16 o
2 2 2 1479.31 1422.80 90.77 o
4 2 2 541.29 575.05 59.91 o
6 2 2 126.67 222.56 39.55 o
8 2 2 19.54 40.23 33.50 o
0 4 2 61674.18 71207.25 345.37 o
2 4 2 45003.61 47808.05 3508.38 o
4 4 2 18749.96 24248.07 2581.37 o
6 4 2 4835.40 6962.19 1200.71 o
8 4 2 804.68 795.17 96.88 o
0 6 2 5255.70 6187.57 109.43 o
2 6 2 4015.57 4521.76 507.42 o
4 6 2 1815.36 1778.20 80.21 o
6 6 2 500.90 697.07 73.13 o
8 6 2 88.58 57.52 56.66 o
0 8 2 22316.51 25825.93 244.37 o
2 8 2 17037.18 17778.16 216.95 o
4 8 2 7698.76 7620.82 161.27 o
6 8 2 2135.88 2246.44 110.44 o
8 8 2 380.85 335.97 107.46 o
0 10 2 8344.68 9670.44 168.75 o
2 10 2 6360.02 6146.54 146.50 o
4 10 2 2867.08 2889.89 104.89 o
6 10 2 795.01 817.43 101.04 o
0 12 2 7197.02 7527.99 165.80 o
2 12 2 5538.47 6127.02 228.72 o
4 12 2 2557.83 2283.77 103.41 o
6 12 2 731.88 1023.01 105.10 o
0 14 2 4171.06 4418.99 134.89 o
2 14 2 3259.20 3237.31 146.75 o
4 14 2 1568.10 1288.37 103.25 o
0 16 2 952.33 786.22 101.75 o
2 16 2 751.18 778.75 223.98 o
1 1 3 15559.81 16214.38 396.54 o
3 1 3 8684.64 9609.34 794.15 o
5 1 3 2948.40 5495.55 1458.49 o
7 1 3 635.33 1305.21 260.72 o
1 3 3 21801.95 22274.62 1829.74 o
3 3 3 12649.03 14241.32 1119.60 o
5 3 3 4333.39 5620.61 491.94 o
7 3 3 924.02 1521.83 71.87 o
1 5 3 5222.62 5665.36 130.79 o
3 5 3 3082.52 3353.26 249.10 o
5 5 3 1069.41 1253.32 123.30 o
1 7 3 17523.51 20191.32 911.81 o
3 7 3 10201.28 10671.50 173.63 o
5 7 3 3606.03 3852.69 119.46 o
7 7 3 805.94 821.58 89.86 o
1 9 3 582.60 652.51 45.03 o
3 9 3 338.26 311.70 48.64 o
5 9 3 121.61 55.35 41.91 o
7 9 3 28.07 57.83 51.35 o
1 11 3 8779.10 10214.71 333.77 o
3 11 3 5293.24 5445.42 153.86 o
5 11 3 1953.26 1681.72 107.04 o
1 13 3 32.35 46.72 34.41 o
3 13 3 18.62 28.74 33.48 o
1 15 3 3027.85 3139.85 278.98 o
0 0 4 17519.88 18346.44 175.15 o
2 0 4 13426.41 15370.90 186.31 o
4 0 4 6073.99 8226.81 163.43 o
6 0 4 1672.49 2959.44 123.11 o
2 2 4 93.42 87.21 25.16 o
4 2 4 44.49 69.58 32.15 o
6 2 4 14.84 23.31 30.75 o
0 4 4 11651.58 13113.49 179.28 o
2 4 4 8925.36 10945.73 581.19 o
4 4 4 4108.54 5454.90 428.80 o
6 4 4 1182.85 1944.24 129.63 o
0 6 4 1869.99 1970.36 86.57 o
2 6 4 1442.86 1568.90 87.32 o
4 6 4 659.49 713.10 58.19 o
6 6 4 182.22 329.32 93.32 o
0 8 4 6625.87 7398.35 167.79 o
2 8 4 5125.93 5752.55 520.03 o
4 8 4 2385.99 2741.20 380.31 o
6 8 4 684.89 1003.37 119.96 o
0 10 4 1707.44 1738.94 89.33 o
2 10 4 1331.10 1478.84 121.19 o
4 10 4 640.79 630.27 66.66 o
0 12 4 1605.55 1578.58 88.64 o
2 12 4 1259.69 1488.93 82.33 o
5 1 5 530.59 672.26 72.59 o
1 3 5 3410.89 3878.46 111.87 o
1 5 5 836.03 897.18 59.54 o
3 5 5 509.10 441.76 107.87 o
5 5 5 190.49 312.89 96.51 o
1 7 5 2989.53 3309.30 410.41 o
3 7 5 1815.87 2535.38 143.11 o
1 9 5 120.22 82.69 53.47 o
3 9 5 72.42 79.18 35.24 o
2 6 6 98.45 141.32 84.51 o